General Information of the Compound
Compound ID
CP0567267
Compound Name
N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]acetamide
    Show/Hide
Structure
Formula
C20H19N3O4
Molecular Weight
365.389
Canonical SMILES
COc1cc(=O)n(C)nc1-c1cc(NC(C)=O)ccc1Oc1ccccc1
    Show/Hide
InChI
InChI=1S/C20H19N3O4/c1-13(24)21-14-9-10-17(27-15-7-5-4-6-8-15)16(11-14)20-18(26-3)12-19(25)23(2)22-20/h4-12H,1-3H3,(H,21,24)
    Show/Hide
InChIKey
SDPNDCCECZLTLA-UHFFFAOYSA-N
Physicochemical Property
logP
3.2066
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
82.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 90017103
ChEMBL ID
CHEMBL4099746
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
EC50 = 370 nM
   TI
   LI
   LO
   TS